UCSF

ZINC02086053

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 No

Popular Name: butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate butyl 2-amino-4,5,6,7-tetrahydro…

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CAS Numbers: , 184174-83-2

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 -0.75 -7.12 2 3 0 52 253.367 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )